[cyano-(4-fluoranyl-3-phenoxy-phenyl)methyl] 2-[(4-tert-butylphenyl)amino]-3-methyl-butanoate

Systemtic Name: [cyano-(4-fluoranyl-3-phenoxy-phenyl)methyl] 2-[(4-tert-butylphenyl)amino]-3-methyl-butanoate Openeye Name: [cyano-(4-fluoro-3-phenoxy-phenyl)methyl] 2-(4-tert-butylanilino)-3-methyl-butanoate CAS Name: 2-(4-tert-butylanilino)-3-methylbutanoic acid [cyano-(4-fluoro-3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(4-fluoro-3-phenoxyphenyl)methyl] 2-(4-tert-butylanilino)-3-methylbutanoate Traditional Name: 2-(4-tert-butylanilino)-3-methyl-butyric acid [cyano-(4-fluoro-3-phenoxy-phenyl)methyl] ester Formula: C29H31FN2O3 MolecularWeight: 474.566443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C#N)C1=CC(=C(C=C1)F)OC2=CC=CC=C2)NC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)OC(C#N)C1=CC(=C(C=C1)F)OC2=CC=CC=C2)NC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C29H31FN2O3/c1-19(2)27(32-22-14-12-21(13-15-22)29(3,4)5)28(33)35-26(18-31)20-11-16-24(30)25(17-20)34-23-9-7-6-8-10-23/h6-17,19,26-27,32H,1-5H3